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Pharmaceutical prediction of in silico ADMET properties.
| Code | Physicochemical Properties | Pharmacokinetics | Toxicity Parameters | ||||||
|---|---|---|---|---|---|---|---|---|---|
| MWa | HBAb | HBDc | RBd | logP | GIAe | OBf | Carcino genesis | Irritation | |
| X1 | 374.18 | 5 | 0 | 3 | 3.96 | + | + | − | + |
| X2 | 495.28 | 7 | 0 | 5 | 5.54 | + | + | − | − |
| X3 | 381.62 | 3 | 0 | 2 | 4.85 | + | + | − | − |
| X4 | 408.08 | 3 | 0 | 2 | 4.82 | + | + | − | + |
| X5 | 374.18 | 5 | 0 | 3 | 3.96 | + | + | − | + |
a = Molecular weight, b = Hydrogen bond acceptor, c = Rotatable bonds, d = Hydrogen bond donor, e = Gastrointestinal absorption, f = Oral bioavailability.
